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Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50559963
Substrate
n/a
Meas. Tech.
ChEMBL_2070956 (CHEMBL4726490)
IC50
900±n/a nM
Citation
 Shaaban, MA; Elshaier, YAMM; Hammad, AH; Farag, NA; Hassan Haredy, H; AbdEl-Ghany, AA; Mohamed, KO Design and synthesis of pyrazolo[3,4-d]pyrimidinone derivatives: Discovery of selective phosphodiesterase-5 inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase
Synonyms:
3',5'-cyclic phosphodiesterase | CGB-PDE | PDE5 | PDE5A | PDE5A_HUMAN | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | Phosphodiesterase 5 (PDE5) | Phosphodiesterase 5A | Phosphodiesterase 5A (PDE5A) | cGMP-binding cGMP-specific phosphodiesterase | cGMP-specific 3',5'-cyclic phosphodiesterase
Type:
Protein
Mol. Mass.:
99975.83
Organism:
Homo sapiens (Human)
Description:
O76074
Residue:
875
Sequence:
MERAGPSFGQQRQQQQPQQQKQQQRDQDSVEAWLDDHWDFTFSYFVRKATREMVNAWFAERVHTIPVCKEGIRGHTESCSCPLQQSPRADNSAPGTPTRKISASEFDRPLRPIVVKDSEGTVSFLSDSEKKEQMPLTPPRFDHDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEVSNNCIRLEWNKGIVGHVAALGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKSSDTLTREHDANKINYMYAQYVKNTMEPLNIPDVSKDKRFPWTTENTGNVNQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEENTGKVKPFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKMLINGESGQAKRN
  
Inhibitor
Name:
BDBM50559963
Synonyms:
CHEMBL4788965
Type:
Small organic molecule
Emp. Form.:
C25H34ClN5O4
Mol. Mass.:
504.022
SMILES:
CO[C@@H]1CC[C@@H](CC1)NC(=O)c1cnc(nc1NCc1ccc(OC)c(Cl)c1)N1CCC[C@H]1CO |r,wU:32.36,5.8,2.1,(8.51,-4.37,;8.5,-5.91,;9.83,-6.68,;9.83,-8.22,;11.16,-9,;12.5,-8.24,;12.5,-6.69,;11.17,-5.92,;13.83,-9.01,;13.83,-10.55,;12.5,-11.32,;15.16,-11.32,;16.49,-10.55,;17.83,-11.31,;17.83,-12.86,;16.49,-13.63,;15.16,-12.86,;13.83,-13.63,;13.83,-15.17,;12.49,-15.94,;12.5,-17.47,;11.17,-18.24,;9.83,-17.47,;8.49,-18.24,;7.16,-17.47,;9.83,-15.93,;8.5,-15.16,;11.16,-15.16,;19.17,-13.63,;20.57,-12.99,;21.61,-14.14,;20.84,-15.47,;19.33,-15.15,;18.19,-16.19,;18.51,-17.69,)|
Structure:
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